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Compile Data Set for Download or QSAR

Found 990 hits with Last Name = 'kuder' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(GUINEA PIG)
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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0.160n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.275n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human H3R


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human H3R


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of human H3 receptor


Eur J Med Chem 152: 223-234 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.043
BindingDB Entry DOI: 10.7270/Q2697632
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50393167
PNG
(CHEMBL2153721)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20|
Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21)
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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in rat brain cortical membrane


Eur J Med Chem 46: 3590-607 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146835
PNG
(1-(4-Chloro-phenyl)-4-(4-cyclopentyl-piperazin-1-y...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C19H25ClN2O2/c20-16-7-5-15(6-8-16)18(23)9-10-19(24)22-13-11-21(12-14-22)17-3-1-2-4-17/h5-8,17H,1-4,9-14H2
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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human H3R


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533199
PNG
(CHEMBL4527011)
Show SMILES [H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
Show InChI InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation ...


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533199
PNG
(CHEMBL4527011)
Show SMILES [H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
Show InChI InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation ...


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50268815
PNG
((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2c(F)cc(cc2F)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human H3R


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50240709
PNG
((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human H3R


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50378000
PNG
(CHEMBL1202078)
Show SMILES CC(C)(C)c1ccc(OCCCOCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C22H37NO2/c1-22(2,3)20-10-12-21(13-11-20)25-19-9-18-24-17-8-16-23-14-6-4-5-7-15-23/h10-13H,4-9,14-19H2,1-3H3
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2.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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2.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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2.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in rat C6 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50562553
PNG
(CHEMBL4759150)
Show SMILES O=C(c1ccccc1)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
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3.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human H3R


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247055
PNG
(1-(3-(3-phenylpropoxy)propyl)piperidine | CHEMBL46...)
Show SMILES C(COCCCc1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C17H27NO/c1-3-9-17(10-4-1)11-7-15-19-16-8-14-18-12-5-2-6-13-18/h1,3-4,9-10H,2,5-8,11-16H2
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3.10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor expressed in rat C6 cells


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50562541
PNG
(CHEMBL4783744)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
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3.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-PI294 from human SP-FLAG-tagged H3R expressed in HEK293T cells measured after 60 to 120 mins by liquid scintillation counting ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377994
PNG
(CHEMBL1202072)
Show SMILES COc1cccc(OCCCOCCCN2CCCCCC2)c1
Show InChI InChI=1S/C19H31NO3/c1-21-18-9-6-10-19(17-18)23-16-8-15-22-14-7-13-20-11-4-2-3-5-12-20/h6,9-10,17H,2-5,7-8,11-16H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377996
PNG
(CHEMBL1202074)
Show SMILES CC1CCN(CCCOCCCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C18H28ClNO2/c1-16-8-11-20(12-9-16)10-2-13-21-14-3-15-22-18-6-4-17(19)5-7-18/h4-7,16H,2-3,8-15H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50562552
PNG
(CHEMBL4796748)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2F)-c2ccc(cc2)C#N)C1 |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human H3R


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004587
PNG
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22|
Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23)
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4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in rat brain cortical membrane


Eur J Med Chem 46: 3590-607 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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4.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat adenosine A2a receptor


Bioorg Med Chem 27: 1195-1210 (2019)


Article DOI: 10.1016/j.bmc.2019.02.004
BindingDB Entry DOI: 10.7270/Q2ZS312P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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5.15n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane


Eur J Med Chem 46: 3590-607 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520939
PNG
(CHEMBL4449790)
Show SMILES CCC(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-2-21(25)18-4-6-20(7-5-18)26-17-3-12-23-13-15-24(16-14-23)19-8-10-22-11-9-19/h4-11H,2-3,12-17H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H3R expressed in HEK293 cell membranes after 90 mins by beta scintilla...


Bioorg Med Chem 26: 6056-6066 (2018)


Article DOI: 10.1016/j.bmc.2018.11.010
BindingDB Entry DOI: 10.7270/Q2NV9NNX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50562543
PNG
(CHEMBL4741145)
Show SMILES Fc1ccc(cc1)C(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
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5.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-PI294 from human SP-FLAG-tagged H3R expressed in HEK293T cells measured after 60 to 120 mins by liquid scintillation counting ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377990
PNG
(CHEMBL1202068)
Show SMILES COc1cccc(OCCOCCCN2CCC(C)CC2)c1
Show InChI InChI=1S/C18H29NO3/c1-16-7-10-19(11-8-16)9-4-12-21-13-14-22-18-6-3-5-17(15-18)20-2/h3,5-6,15-16H,4,7-14H2,1-2H3
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7.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50562540
PNG
(CHEMBL4776141)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
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7.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-PI294 from human SP-FLAG-tagged H3R expressed in HEK293T cells measured after 60 to 120 mins by liquid scintillation counting ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377999
PNG
(CHEMBL1202077)
Show SMILES CC1CCN(CCCOCCCOc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C22H37NO2/c1-19-11-14-23(15-12-19)13-5-16-24-17-6-18-25-21-9-7-20(8-10-21)22(2,3)4/h7-10,19H,5-6,11-18H2,1-4H3
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7.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50562547
PNG
(CHEMBL4743583)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
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7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-PI294 from human SP-FLAG-tagged H3R expressed in HEK293T cells measured after 60 to 120 mins by liquid scintillation counting ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50084860
PNG
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)
Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1
Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
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8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane


Eur J Med Chem 46: 3590-607 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405715
PNG
(CHEMBL4173079)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H21NO3S2/c1-12(11-24)18(21)20-10-16(9-17(20)19(22)23)25-15-7-6-13-4-2-3-5-14(13)8-15/h2-8,12,16-17,24H,9-11H2,1H3,(H,22,23)/t12-,16+,17+/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor expressed in HEK293 cells after 90 mins by liquid scintillation countin...


Eur J Med Chem 152: 223-234 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.043
BindingDB Entry DOI: 10.7270/Q2697632
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50562548
PNG
(CHEMBL4758080)
Show SMILES C(COc1ccc(Nc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
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8.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-PI294 from human SP-FLAG-tagged H3R expressed in HEK293T cells measured after 60 to 120 mins by liquid scintillation counting ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459836
PNG
(CHEMBL4227989)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C21H35NO/c1-4-21(2,3)19-11-13-20(14-12-19)23-18-10-6-9-17-22-15-7-5-8-16-22/h11-14H,4-10,15-18H2,1-3H3
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8.80n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520922
PNG
(CHEMBL4547780)
Show SMILES CC(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-17(24)18-3-5-20(6-4-18)25-16-2-11-22-12-14-23(15-13-22)19-7-9-21-10-8-19/h3-10H,2,11-16H2,1H3
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520922
PNG
(CHEMBL4547780)
Show SMILES CC(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-17(24)18-3-5-20(6-4-18)25-16-2-11-22-12-14-23(15-13-22)19-7-9-21-10-8-19/h3-10H,2,11-16H2,1H3
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10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H3R expressed in HEK293 cell membranes after 90 mins by beta scintilla...


Bioorg Med Chem 26: 6056-6066 (2018)


Article DOI: 10.1016/j.bmc.2018.11.010
BindingDB Entry DOI: 10.7270/Q2NV9NNX
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50021553
PNG
(CHEMBL3290570)
Show SMILES CN1CCN(CC1)c1ncnc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H16ClN5/c1-19-6-8-20(9-7-19)14-17-10-16-13(18-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3
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10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor after 45 mins by scintillation counting analysis


Eur J Med Chem 83: 534-46 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.032
BindingDB Entry DOI: 10.7270/Q2W097HQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human H3 receptor


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-Methylhistamine from recombinant human histamine H3 receptor expressed in human HEK293 cells incubated for 90 mins by mic...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377989
PNG
(CHEMBL1202067)
Show SMILES COc1cccc(OCCOCCCN2CCCC(C)C2)c1
Show InChI InChI=1S/C18H29NO3/c1-16-6-4-9-19(15-16)10-5-11-21-12-13-22-18-8-3-7-17(14-18)20-2/h3,7-8,14,16H,4-6,9-13,15H2,1-2H3
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12.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377997
PNG
(CHEMBL1202075)
Show SMILES CC1CCCCN(CCCOCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C19H30ClNO2/c1-17-6-2-3-11-21(16-17)12-4-13-22-14-5-15-23-19-9-7-18(20)8-10-19/h7-10,17H,2-6,11-16H2,1H3
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12.8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50459827
PNG
(CHEMBL4225644)
Show SMILES OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCN2CCCC(C)C2)cc1
Show InChI InChI=1S/C22H37NO.C2H2O4/c1-5-22(3,4)20-11-13-21(14-12-20)24-17-8-6-7-15-23-16-9-10-19(2)18-23;3-1(4)2(5)6/h11-14,19H,5-10,15-18H2,1-4H3;(H,3,4)(H,5,6)
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14n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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14.8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520936
PNG
(CHEMBL4593213)
Show SMILES CCC(=O)c1ccc(OCCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C22H29N3O2/c1-2-22(26)19-5-7-21(8-6-19)27-18-4-3-13-24-14-16-25(17-15-24)20-9-11-23-12-10-20/h5-12H,2-4,13-18H2,1H3
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15n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H3R expressed in HEK293 cell membranes after 90 mins by beta scintilla...


Bioorg Med Chem 26: 6056-6066 (2018)


Article DOI: 10.1016/j.bmc.2018.11.010
BindingDB Entry DOI: 10.7270/Q2NV9NNX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405713
PNG
(CHEMBL4173854)
Show SMILES CC(C)(C)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C15H18ClNO3S2/c1-9(8-21)14(18)17-7-12(6-13(17)15(19)20)22-11-4-2-10(16)3-5-11/h2-5,9,12-13,21H,6-8H2,1H3,(H,19,20)/t9-,12+,13+/m1/s1
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16n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor expressed in HEK293 cells after 90 mins by liquid scintillation countin...


Eur J Med Chem 152: 223-234 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.043
BindingDB Entry DOI: 10.7270/Q2697632
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to rat H3R


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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17n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem 25: 2701-2712 (2017)


Article DOI: 10.1016/j.bmc.2017.03.031
BindingDB Entry DOI: 10.7270/Q2833VPK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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17n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50562549
PNG
(CHEMBL4786308)
Show SMILES C(COc1ccc(Cc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-PI294 from human SP-FLAG-tagged H3R expressed in HEK293T cells measured after 60 to 120 mins by liquid scintillation counting ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113041
BindingDB Entry DOI: 10.7270/Q2MP570W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377993
PNG
(CHEMBL1202071)
Show SMILES COc1cccc(OCCCOCCCN2CCC(C)CC2)c1
Show InChI InChI=1S/C19H31NO3/c1-17-8-11-20(12-9-17)10-4-13-22-14-5-15-23-19-7-3-6-18(16-19)21-2/h3,6-7,16-17H,4-5,8-15H2,1-2H3
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18.6n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
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